[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S2/c1-14-6-8-16(9-7-14)22-19(24)11-20-23-17(13-29-20)12-28-21(25)15-4-3-5-18(10-15)30(2,26)27/h3-10,13H,11-12H2,1-2H3,(H,22,24)